Geometry & MOs

Info

ID:

400169

PubChem CID:

135046175

Reduced:

NSi2O8C52H83 (1)

Stoich.:

AB2C8D52E83 (1)

Weight, g/mol:

198.107606

ΔHf, kcal/mol:

-471.97

Dipole, Da:

5.21

IP(EA), eV:

 -8.76(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

trimethyl-[[(1S,5R,6S)-5-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)O[C@@H]([C@@H](C)[C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C(=O)C(=C)C[C@H](C)[C@H]1[C@H]([C@H](O[C@H](O1)C2=CC=CC=C2)[C@@H](C)C(=O)N3[C@@H](COC3=O)CC4=CC=CC=C4)C

DOS

IR

Vibrations